CAS 72804-96-7 O-(Diphenylphosphinyl)hydroxylamine (HCID 10955453)

기본 정보

CAS: 72804-96-7
표준 SMILES: NOP(=O)(c1ccccc1)c1ccccc1
InChIKey: SJECIYLGISUNRO-UHFFFAOYSA-N
분자식: C12H12NO2P
평균 분자량: 233.2 g/mol
단동위원소 질량: 233.06056525

이름 및 식별자

우선 이름: O-(Diphenylphosphinyl)hydroxylamine
IUPAC: O-diphenylphosphorylhydroxylamine
영어명: O-Diphenylphosphinylhydroxylamine
분자식: C12H12NO2P
분자량: 233.2

이름 및 동의어

72804-96-7O-(Diphenylphosphinyl)hydroxylamine(Aminooxy)diphenylphosphine oxideHydroxylamine, O-(diphenylphosphinyl)-O-(Diphenylphosphinyl)hydroxylamine [MI]2O9PF20T75RefChem:855148810-371-8O-DIPHENYLPHOSPHINYLHYDROXYLAMINEO-(diphenylphosphoryl)hydroxylamineamino diphenylphosphinateO-diphenylphosphorylhydroxylamine

이름 더 보기

Azanyl P,P-diphenylphosphinatediphenylphosphinatephosphinyLO-DiphenyL(AMinooxy)diphenylphosphineoxidDiphenylphosphinylhydroxylamineTwoPhenylphosphonichydroxylaMine

MFCD12755701(aminooxy)(diphenyl)phosphine oxideo-(diphenylphosphinyl) hydroxylamine(Aminooxy)diphenylphosphine Oxide;C12H12NO2PUNII-2O9PF20T75O-(diphenylphosphinyl)-HydroxylamineSCHEMBL276503

데이터베이스 식별자

CAS: 72804-96-7
PubChem CID: 10955453
DTXSID: DTXSID40449717
UNII: 2O9PF20T75
EC Number: 810-371-8
Nikkaji: J1.795.719H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 236

물리화학적 성질

녹는점: 140 ℃ · >140℃ (decomposition)
끓는 점: 368 · 368.0±25.0 °C(Predicted)
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간), 메탄올(매우 소량, 초음파 처리)에 용해됨
산도 계수 (pKa): -1.65 · -1.65±0.70(Predicted)
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1S/C12H12NO2P/c13-15-16(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13H2
InChIKey: SJECIYLGISUNRO-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1)(C1=CC=CC=C1)(ON)=O

화학적 성질

Light yellow or white powder solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4.3% (1 of 23) of reports.

Warning

H312 (78.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 23 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)

안전 데이터

wgk: 3

화학 및 산업

응용 분야 · 3건

용도O-Diphenylphosphinylhydroxylamine is a versatile reactant used in the synthetic preparation of various products such as trans-acylaziridines and aldohydrazones.

개요O-Diphenylphosphinylhydroxylamine (DPPH) is a versatile electrophilic amination reagent that has been used widely for the amination of stable carbanions, Grignard reagents, and π-electron-rich nitrogen heterocycles. Researchers have used DPPH for the aziridination of enones. Compared to other hydroxylamine derivatives typically stored as hydrochloride salts, this activated phosphinyl reagent exhibits good stability and can be stored indefinitely at 0 ℃. This compound in a single step from hydroxylamine hydrochloride and diphenylphosphinic chloride[1].

일반 설명O-(Diphenylphosphinyl)hydroxylamine is a general reagent for electrophilic C-amination, which aminates a variety of stable carbanions and Grignard reagents.